%chk=000286907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286907

0 1
S 0.026403 1.301385 -0.772544
O -0.845530 -0.011997 -0.147862
O -0.187501 2.494215 -0.018936
O -0.223899 1.282848 -2.186787
O 1.985502 0.487741 3.034168
O 0.264510 0.971599 1.796846
O -6.493518 -1.805320 -0.336574
O 6.249522 -1.059829 -1.236125
O 6.074793 -1.058191 0.925618
N 1.422458 0.640716 1.970946
N 5.649849 -0.865723 -0.196154
C 1.654140 0.647539 -0.532360
C 2.218153 0.396837 0.724601
C 2.401903 0.389740 -1.678939
C 3.519411 -0.093672 0.857372
C 4.254634 -0.339384 -0.312109
C -2.198019 0.150018 0.127434
C 3.711687 -0.106648 -1.578065
C -3.072577 -0.711905 -0.544182
C -4.432967 -0.647445 -0.221419
C -2.626508 1.071124 1.092825
C -4.886114 0.259916 0.748134
C -3.987725 1.116311 1.395688
C -5.445286 -1.540204 -0.883523
C -5.109591 -2.064572 -2.248298
H 1.969857 0.569526 -2.678465
H 3.959300 -0.284137 1.852335
H 4.305375 -0.311312 -2.480576
H -2.682744 -1.410633 -1.282055
H -1.907001 1.728603 1.593960
H -5.950756 0.284726 0.999295
H -4.351454 1.819427 2.146519
H -4.352707 -2.859266 -2.199723
H -4.726808 -1.281127 -2.915630
H -5.998694 -2.503307 -2.728415


%chk=000286907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286907

0 1
S 0.002360 1.023814 -1.031930
O -0.984697 -0.491997 -0.044920
O -0.369569 2.528428 -0.552844
O -0.085789 0.696726 -2.623899
O 2.408159 1.344060 2.982988
O 0.437398 1.264632 1.837872
O -6.998860 -0.893001 -0.827746
O 6.538154 -1.056954 -1.089926
O 6.431179 -0.468607 1.114313
N 1.710937 1.118616 1.925585
N 5.915189 -0.607617 -0.056389
C 1.817265 0.515257 -0.558031
C 2.429978 0.637193 0.709102
C 2.538261 0.016078 -1.656955
C 3.781715 0.275678 0.878771
C 4.483994 -0.218364 -0.233564
C -2.304235 -0.244319 0.257246
C 3.887753 -0.358974 -1.502210
C -3.316250 -0.712709 -0.632719
C -4.676817 -0.569523 -0.287157
C -2.655533 0.416523 1.473509
C -5.018677 0.068461 0.942472
C -4.016454 0.555975 1.810182
C -5.794905 -1.060091 -1.176129
C -5.442988 -1.747521 -2.487673
H 2.031861 -0.065256 -2.625017
H 4.260808 0.376789 1.856532
H 4.474157 -0.749533 -2.337774
H -2.999861 -1.194293 -1.563252
H -1.857161 0.796538 2.117286
H -6.082048 0.171908 1.183884
H -4.297766 1.051097 2.744977
H -4.823470 -2.646986 -2.313077
H -4.865383 -1.072048 -3.146288
H -6.370606 -2.042383 -3.000222


